SCHEMBL29046597

SCHEMBL29046597

O=C(O)CC[C@H]1COc2cc(OS(=O)(=O)C(F)(F)F)ccc21

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 15/20 0.48
PPARG P37231 15/20 0.48
FFAR1 O14842 16/20 0.47
PPARA Q07869 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29046573 1.00 PPARD (0.48) PPARDPPARGFFAR1PPARA
SCHEMBL10011429 0.88 PPARD (0.62) PPARDPPARGFFAR1PPARA
SCHEMBL16449097 0.83 FFAR1 (0.50) PPARDPPARGFFAR1PPARA
SCHEMBL18526217 0.83 FFAR1 (0.50) PPARDPPARGFFAR1PPARA
SCHEMBL16123797 0.83 FFAR1 (0.50) PPARDPPARGFFAR1PPARA
SCHEMBL21178299 0.79 PPARG (0.38) PPARDPPARGFFAR1PPARA
SCHEMBL16499628 0.79 PPARG (0.38) PPARDPPARGFFAR1PPARA
SCHEMBL21270524 0.76 CA2 (0.38) PPARDPPARG
SCHEMBL21270522 0.76 CA2 (0.38) PPARDPPARG
SCHEMBL3718724 0.75 HSD11B1 (0.41) PPARDPPARGFFAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116547270-A 4- (2-fluoro-4-methoxy-5-3- (((1-methylcyclobutyl) methyl) carbamoyl) bicyclo [2.2.1] hept-2-yl) carbamoyl) phenoxy) -1-methylcyclohexane-1-carboxylic acid derivatives and similar compounds as RXFP1 modulators for the treatment of heart failure 阿斯利康(瑞典)有限公司 2023-08-04 CN disclosed